{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.823476 0.323476 0.85414 ] [ 0.323476 0.176524 0.85414 ] [ 0.176524 0.676524 0.85414 ] [ 0.323476 0.176524 0.14586 ] [ 0.176524 0.676524 0.14586 ] [ 0.676524 0.823476 0.85414 ] [ 0.676524 0.823476 0.14586 ] [ 0 0 0 ] [ 0.823476 0.323476 0.14586 ] [ 0.5 0.5 0 ] [ 0.323476 0.823476 0.35414 ] [ 0.823476 0.676524 0.35414 ] [ 0.676524 0.176524 0.35414 ] [ 0.823476 0.676524 0.64586 ] [ 0.676524 0.176524 0.64586 ] [ 0.176524 0.323476 0.35414 ] [ 0.176524 0.323476 0.64586 ] [ 0.5 0.5 0.5 ] [ 0.323476 0.823476 0.64586 ] [ 0 0 0.5 ] [ 0.116216 0.383784 0 ] [ 0.616216 0.116216 0 ] [ 0.383784 0.883784 0 ] [ 0.883784 0.616216 0 ] [ 0.5 0.5 0.75 ] [ 0.5 0.5 0.25 ] [ 0.616216 0.883784 0.5 ] [ 0.116216 0.616216 0.5 ] [ 0.883784 0.383784 0.5 ] [ 0.383784 0.116216 0.5 ] [ 0 0 0.25 ] [ 0 0 0.75 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.82266701726 "source-unit" "angstrom" } "c" { "source-value" 13.8917008934 "source-unit" "angstrom" } }